5-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine

C7H11N3S — CID 114617717

IUPAC5-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine
SMILESC=C(C)CNc1nnc(C)s1
InChIInChI=1S/C7H11N3S/c1-5(2)4-8-7-10-9-6(3)11-7/h1,4H2,2-3H3,(H,8,10)
InChIKeyFROKFOLGMIWARH-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.83
Rot. Bonds3

About 5-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine

5-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114617717) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 5-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine
PubChem CID114617717
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name5-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine
SMILESC=C(C)CNc1nnc(C)s1
InChIInChI=1S/C7H11N3S/c1-5(2)4-8-7-10-9-6(3)11-7/h1,4H2,2-3H3,(H,8,10)
InChIKeyFROKFOLGMIWARH-UHFFFAOYSA-N
XLogP1.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine (CID 114617717) is 5-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine is C=C(C)CNc1nnc(C)s1.
What is the InChIKey of 5-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FROKFOLGMIWARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-5(2)4-8-7-10-9-6(3)11-7/h1,4H2,2-3H3,(H,8,10).
What are the key properties of 5-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine?
5-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 169.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114617717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).